--- trunk/src/applications/staticProps/Hxy.cpp 2012/08/22 02:28:28 1782 +++ trunk/src/applications/staticProps/Hxy.cpp 2013/06/16 15:15:42 1879 @@ -35,7 +35,7 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * @@ -124,17 +124,15 @@ namespace OpenMD { RealType gridX_, gridY_; RealType halfBoxX_, halfBoxY_; - int binNoX, binNoY; RealType interpsum, value; int ninterp, px, py, newp; - int newx, newy, newindex, index; + int newindex, index; int new_i, new_j, new_index; RealType freq_x, freq_y, zero_freq_x, zero_freq_y, freq; RealType maxfreqx, maxfreqy, maxfreq; int whichbin; - int nMolecules; std::fill(sum_bin.begin(), sum_bin.end(), 0.0); std::fill(avg_bin.begin(), avg_bin.end(), 0.0); @@ -155,7 +153,6 @@ namespace OpenMD { reader.readFrame(istep); currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot(); - nMolecules = info_->getNGlobalMolecules(); Mat3x3d hmat = currentSnapshot_->getHmat();